2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

C13H13N5O — CID 30865225

IUPAC2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C13H13N5O/c1-9-6-10-4-2-3-5-11(10)18(9)7-12(19)16-13-14-8-15-17-13/h2-6,8H,7H2,1H3,(H2,14,15,16,17,19)
InChIKeyAHAKGOZADHYSPE-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.71
Rot. Bonds3

About 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide

2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (PubChem CID 30865225) has the molecular formula C13H13N5O and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
PubChem CID30865225
Molecular FormulaC13H13N5O
Molecular Weight255.28 g/mol
Exact Mass255.11
IUPAC Name2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide
SMILESCc1cc2ccccc2n1CC(=O)Nc1ncn[nH]1
InChIInChI=1S/C13H13N5O/c1-9-6-10-4-2-3-5-11(10)18(9)7-12(19)16-13-14-8-15-17-13/h2-6,8H,7H2,1H3,(H2,14,15,16,17,19)
InChIKeyAHAKGOZADHYSPE-UHFFFAOYSA-N
XLogP1.71
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)acetamide
CID 60981974
2-(2-methylindol-1-yl)-N-pyridin-4-ylacetamide
CID 27700402
2-(2-methylindol-1-yl)-N-(6-methyl-2-pyridinyl)acetamide
CID 4173283
N-(4-bromophenyl)-2-(2-methylindol-1-yl)acetamide
CID 4226117
2-(2-methylindol-1-yl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 17460159
2-(2-methylindol-1-yl)-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 71690037
N-(4-chloro-2-methylphenyl)-2-(2-methylindol-1-yl)acetamide
CID 4150176
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 107844939
N-[(2R)-1-hydroxybutan-2-yl]-2-(2-methylindol-1-yl)acetamide
CID 103919706
2-(2-methylindol-1-yl)-N-(2-methyl-5-nitrophenyl)acetamide
CID 4153492
2-(2-methylindol-1-yl)-N-(4-propan-2-yl-1,3-thiazol-2-yl)acetamide
CID 43036916
2-(2-methylindol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 51238620

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The IUPAC name of 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide (CID 30865225) is 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide.
What is the SMILES notation for 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The canonical SMILES for 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is Cc1cc2ccccc2n1CC(=O)Nc1ncn[nH]1.
What is the InChIKey of 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
The InChIKey is AHAKGOZADHYSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O/c1-9-6-10-4-2-3-5-11(10)18(9)7-12(19)16-13-14-8-15-17-13/h2-6,8H,7H2,1H3,(H2,14,15,16,17,19).
What are the key properties of 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide?
2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide has a molecular weight of 255.28 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylindol-1-yl)-N-(1H-1,2,4-triazol-5-yl)acetamide is sourced from PubChem (CID 30865225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).